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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Fault geometry inversion and slip distribution of the 2010 M w 7.2 El Mayor-Cucapah earthquake from geodetic data

The 4 April 2010 M w 7.2 El Mayor-Cucapah (EMC) earthquake in Baja, California, and Sonora, Mexico, had primarily right-lateral strike-slip motion and a minor normal-slip component. The surface rupture extended about 120 km in a NW-SE direction, west of the Cerro Prieto fault. We use geodetic measurements including near- to far-field GPS, interferometric synthetic aperture radar (InSAR), and subpixel offset measurements of radar and optical images to characterize the fault slip during the EMC event. We use dislocation inversion methods and determine an optimal nine-segment fault geometry, as well as a subfault slip distribution from the geodetic measurements. With systematic perturbation of the fault dip angles, randomly removing one geodetic data constraint, or different data combinations, we are able to explore the robustness of the inferred slip distribution along fault strike and depth. The model fitting residuals imply contributions of early postseismic deformation to the InSAR measurements as well as lateral heterogeneity in the crustal elastic structure between the Peninsular Ranges and the Salton Trough. We also find that with incorporation of near-field geodetic data and finer fault patch size, the shallow slip deficit is reduced in the EMC event by reductions in the level of smoothing. Finally, these results show that the outcomes of coseismic inversions can vary greatly depending on model parameterization and methodology.

58 GEOSCIENCES↗
DOE OSTI2022

The Ground Truth Program: Simulations as Test Beds for Social Science Research Methods.

Social systems are uniquely complex and difficult to study, but understanding them is vital to solving the world’s problems. The Ground Truth program developed a new way of testing the research methods that attempt to understand and leverage the Human Domain and its associated complexities. The program developed simulations of social systems as virtual world test beds. Not only were these simulations able to produce data on future states of the system under various circumstances and scenarios, but their causal ground truth was also explicitly known. Research teams studied these virtual worlds, facilitating deep validation of causal inference, prediction, and prescription methods. The Ground Truth program model provides a way to test and validate research methods to an extent previously impossible, and to study the intricacies and interactions of different components of research.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Are ‘Water Smart Landscapes’ Contagious? An Epidemic Approach on Networks to Study Peer Effects

Here, we test the existence of a neighborhood based peer effect around participation in an incentive based conservation program called ‘Water Smart Landscapes’ (WSL) in the city of Las Vegas, Nevada. We use 15 years of geo-coded daily records of WSL program applications and approvals compiled by the Southern Nevada Water Authority and Clark County Tax Assessors rolls for home characteristics. We use this data to test whether a spatially mediated peer effect can be observed in WSL participation likelihood at the household level. We show that epidemic spreading models provide more flexibility in modeling assumptions, and also provide one mechanism for addressing problems associated with correlated unobservables than hazards models which can also be applied to address the same questions. We build networks of neighborhood based peers for 16 randomly selected neighborhoods in Las Vegas and test for the existence of a peer based influence on WSL participation by using a Susceptible-Exposed-Infected-Recovered epidemic spreading model (SEIR), in which a home can become infected via autoinfection or through contagion from its infected neighbors. We show that this type of epidemic model can be directly recast to an additive-multiplicative hazard model, but not to purely multiplicative one. Using both inference and prediction approaches we find evidence of peer effects in several Las Vegas neighborhoods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Rigorous Representation of Transporters as Allosteric Machines Enables a Quantitative Understanding of their Functional Mechanisms

The sodium-coupled transporters are prototypical molecular machines of the cell that maintain communication with the environment by moving substances across the membrane. How they use energy to perform the transfer of substrates against their chemical gradient, i.e., by sodium symport along its gradient, is of special biophysical interest. New structural information, and powerful computational methods applied to the analysis of extensive molecular dynamics trajectories, make it possible to incorporate mechanistic elements of ion and substrate transport in structure-informed allosteric models that can be interrogated for specific and quantitative inferences.

Biophysics↗
DOE OSTI2020

Solving differential equations using deep neural networks

Recent work on solving partial differential equations (PDEs) with deep neural networks (DNNs) is presented. The paper reviews and extends some of these methods while carefully analyzing a fundamental feature in numerical PDEs and nonlinear analysis: irregular solutions. First, the Sod shock tube solution to the compressible Euler equations is discussed and analyzed. This analysis includes a comparison of a DNN-based approach with conventional finite element and finite volume methods, and demonstrates that the DNN is competitive in terms of degrees of freedom required for a given accuracy. Further, the DNN-based approach is extended to consider performance improvements and simultaneous parameter space exploration. Next, a shock solution to compressible magnetohydrodynamics (MHD) is solved for, and used in a scenario where experimental data is utilized to enhance a PDE system that is a priori insufficient to validate against the observed/experimental data. This is accomplished by enriching the model PDE system with source terms that are then inferred via supervised training with synthetic experimental data. The resulting DNN framework for PDEs enables straightforward system prototyping and natural integration of large data sets (be they synthetic or experimental), all while simultaneously enabling single-pass exploration of an entire parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Learning to simulate high energy particle collisions from unlabeled data

In many scientific fields which rely on statistical inference, simulations are often used to map from theoretical models to experimental data, allowing scientists to test model predictions against experimental results. Experimental data is often reconstructed from indirect measurements causing the aggregate transformation from theoretical models to experimental data to be poorly-described analytically. Instead, numerical simulations are used at great computational cost. We introduce Optimal-Transport-based Unfolding and Simulation (OTUS), a fast simulator based on unsupervised machine-learning that is capable of predicting experimental data from theoretical models. Without the aid of current simulation information, OTUS trains a probabilistic autoencoder to transform directly between theoretical models and experimental data. Identifying the probabilistic autoencoder’s latent space with the space of theoretical models causes the decoder network to become a fast, predictive simulator with the potential to replace current, computationally-costly simulators. Here, we provide proof-of-principle results on two particle physics examples, Z-boson and top-quark decays, but stress that OTUS can be widely applied to other fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

TDCOSMO 2025: Cosmological constraints from strong lensing time delays

We present cosmological constraints from eight strongly lensed quasars (hereafter, the TDCOSMO-2025 sample). Building on previous work, our analysis incorporated new deflector stellar velocity dispersions measured from spectra obtained with the James Webb Space Telescope (JWST), the Keck Telescopes, and the Very Large Telescope (VLT), utilizing improved methods. We used integrated JWST stellar kinematics for five lenses, VLT-MUSE for 2, and resolved kinematics from Keck and JWST for RX J1131−1231. We also considered two samples of non-time-delay lenses: 11 from the Sloan Lens ACS (SLACS) sample with Keck-KCWI resolved kinematics; and four from the Strong Lenses in the Legacy Survey (SL2S) sample. We improved our analysis of line-of-sight effects, the surface brightness profile of the lens galaxies, and orbital anisotropy, and corrected for projection effects in the dynamics. Our uncertainties are maximally conservative by accounting for the mass-sheet degeneracy in the deflectors’ mass density profiles. The analysis was blinded to prevent experimenter bias. Our primary result is based on the TDCOSMO-2025 sample, in combination with Ωm constraints from the Pantheon+ Type Ia supernovae (SN) dataset. In the flat Λ cold dark matter (CDM), we find H0 = 71.6+3.9−3.3 km s−1 Mpc−1. The SLACS and SL2S samples are in excellent agreement with the TDCOSMO-2025 sample, improving the precision on H0 in flat ΛCDM to 4.6%. Using the Dark Energy Survey SN Year-5 dataset (DES-SN5YR) or DESI-DR2 baryonic acoustic oscillations (BAO) likelihoods instead of Pantheon+ yields very similar results. We also present constraints in the open ΛCDM, wCDM, w0waCDM, and wϕCDM cosmologies. The TDCOSMO H0 inference is robust and consistent across all presented cosmological models, and our cosmological constraints in them agree with those from the BAO and SN.Key words: cosmological parameters / cosmology: observations / dark energy / distance scale⋆⋆ Brinson Fellow.⋆⋆⋆ NHFP Einstein Fellow.

Birrer, Simon [SUNY, Stony Brook] (ORCID:000000033↗
DOE OSTI2013

COMPARING THE LIGHT CURVES OF SIMULATED TYPE Ia SUPERNOVAE WITH OBSERVATIONS USING DATA-DRIVEN MODELS

We propose a robust, quantitative method to compare the synthetic light curves of a Type Ia supernova (SN Ia) explosion model with a large set of observed SNe Ia, and derive a figure of merit for the explosion model's agreement with observations. The synthetic light curves are fit with the data-driven model SALT2 which returns values for stretch, color, and magnitude at peak brightness, as well as a goodness-of-fit parameter. Each fit is performed multiple times with different choices of filter bands and epoch range in order to quantify the systematic uncertainty on the fitted parameters. We use a parametric population model for the distribution of observed SN Ia parameters from large surveys, and extend it to represent red, dim, and bright outliers found in a low-redshift SN Ia data set. We discuss the potential uncertainties of this population model and find it to be reliable given the current uncertainties on cosmological parameters. Using our population model, we assign each set of fitted parameters a likelihood of being observed in nature, and a figure of merit based on this likelihood. We define a second figure of merit based on the quality of the light curve fit, and combine the two measures into an overall figure of merit for each explosion model. We compute figures of merit for a variety of one-, two-, and three-dimensional explosion models and show that our evaluation method allows meaningful inferences across a wide range of light curve quality and fitted parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Reconstruction of tokamak plasma safety factor profile using deep learning

Abstract The motional Stark effect (MSE) diagnostic has been a standard measurement for the magnetic field line pitch angle in tokamaks that are equipped with neutral beams. However, the MSE data are not always available due to experimental constraints, especially in future devices without neutral beams. Here we develop a deep-learning based model (SGTC-QR) that can reconstruct the safety factor profile without the MSE diagnostic to mimic the traditional equilibrium reconstruction with the MSE constraint. The model demonstrates promising performance, and the sub-millisecond inference time is compatible with the real-time plasma control system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

EVIDENCE FOR A WEAK WIND FROM THE YOUNG SUN

The early history of the solar wind has remained largely a mystery due to the difficulty of detecting winds around young stars that can serve as analogs for the young Sun. Here we report on the detection of a wind from the 500 Myr old solar analog π{sup 1} UMa (G1.5 V), using spectroscopic observations from the Hubble Space Telescope. We detect H I Lyα absorption from the interaction region between the stellar wind and interstellar medium, i.e., the stellar astrosphere. With the assistance of hydrodynamic models of the π{sup 1} UMa astrosphere, we infer a wind only half as strong as the solar wind for this star. This suggests that the Sun and solar-like stars do not have particularly strong coronal winds in their youth.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Deprojection of X-ray data in galaxy clusters: confronting simulations with observations

ABSTRACT Numerical simulations with varying realism indicate an emergent principle−multiphase condensation and large cavity power occur when the ratio of the cooling time to the free-fall time (tcool/tff) falls below a threshold value close to 10. Observations indeed show cool-core signatures when this ratio falls below 20–30, but the prevalence of cores with tcool/tff ratio below 10 is rare as compared to simulations. In X-ray observations, we obtain projected spectra from which we have to infer radial gas density and temperature profiles. Using idealized models of X-ray cavities and multiphase gas in the core and 3D hydro jet-ICM simulations, we quantify the biases introduced by deprojection based on the assumption of spherical symmetry in determining tcool/tff. We show that while the used methods are able to recover the tcool/tff ratio for relaxed clusters, they have an uncertainty of a factor of 2−3 in systems containing large cavities (≳ 20 kpc). We also show that the mass estimates from these methods, in the absence of X-ray spectra close to the virial radius, suffer from a degeneracy between the virial mass (M200) and the concentration parameter (c) in the form of M200c2 ≈ constant. Additionally, the lack of soft-X-ray (≲ 0.5 keV) coverage and poor spatial resolution makes us overestimate min(tcool/tff) by a factor of few in clusters with min(tcool/tff) ≲ 5. This bias can largely explain the lack of cool-core clusters with min(tcool/tff) ≲ 5.

Sarkar, Kartick C. (ORCID:0000000277678472)↗
DOE OSTI2023

Late-formed haloes prefer to host quiescent central galaxies – I. Observational results

ABSTRACT The star formation and quenching of central galaxies are regulated by the assembly histories of their host haloes. In this work, we use the central stellar mass to halo mass ratio as a proxy of halo formation time, and we devise three different models, from the physical hydrodynamical simulation to the empirical statistical model, to demonstrate its robustness. With this proxy, we inferred the dependence of the central galaxy properties on the formation time of their host haloes using the SDSS main galaxy sample, where central galaxies are identified with the halo-based group finder. We found that central galaxies living in late-formed haloes have higher quiescent fractions and lower spiral fractions than their early-formed counterparts by $\lesssim 8~{{\ \rm per\ cent}}$ . Finally, we demonstrate that the group finding algorithm has a negligible impact on our results.

Astronomy & Astrophysics↗
DOE OSTI2025

Accurate shear estimation with fourth-order moments

ABSTRACT As imaging surveys progress in exploring the large-scale structure of the Universe through the use of weak gravitational lensing, achieving sub-per cent accuracy in estimating shape distortions caused by lensing, or shear, is imperative for precision cosmology. In this paper, we extend the Fourier power function shapelets (FPFS) shear estimator using fourth-order shapelet moments and combine it with the original second-order shear estimator to reduce galaxy shape noise. We calibrate this novel shear estimator analytically to a sub-per cent level-accuracy using the AnaCal framework. This higher order shear estimator is tested with realistic image simulations, and after analytical correction for the detection/selection bias and noise bias, the multiplicative shear bias $|m|$ is below $3\times 10^{-3}$ (99.7 per cent confidence interval) for both isolated and blended galaxies. Once combined with the second-order FPFS shear estimator, the shape noise is reduced by $\sim 35~{{\ \rm per\ cent}}$ for isolated galaxies in simulations with Hyper Suprime-Cam and Vera C. Rubin Observatory Legacy Survey of Space and Time observational conditions. However, for blended galaxies, the effective number density does not significantly improve with the combination of the two estimators. Based on these results, we recommend exploration of how this framework can further reduce the systematic uncertainties in shear due to point spread function leakage and modelling error, and potentially provide improved precision in shear inference in high-resolution space-based images.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Brightest galaxies as halo centre tracers in SDSS DR7

Determining the positions of halo centres in large-scale structure surveys is crucial for many cosmological studies. A common assumption is that halo centres correspond to the location of their brightest member galaxies. In this paper, we study the dynamics of brightest galaxies with respect to other halo members in the Sloan Digital Sky Survey DR7. Specifically, we look at the line-of-sight velocity and spatial offsets between brightest galaxies and their neighbours. We compare those to detailed mock catalogues, constructed from high-resolution, dark-matter-only N-body simulations, in which it is assumed that satellite galaxies trace dark matter subhaloes. This allows us to place constraints on the fraction f(BNC) of haloes in which the brightest galaxy is not the central. Compared to previous studies, we explicitly take into account the unrelaxed state of the host haloes, velocity offsets of halo cores and correlations between f(BNC) and the satellite occupation. We find that f(BNC) strongly decreases with the luminosity of the brightest galaxy and increases with the mass of the host halo. Overall, in the halo mass range 10(13-)10(14.5) h(-1) M-circle dot we find f(BNC) similar to 30 per cent, in good agreement with a previous study by Skibba et al. We discuss the implications of these findings for studies inferring the galaxy-halo connection from satellite kinematics, models of the conditional luminosity function and galaxy formation in general

cosmology: dark matter↗
DOE OSTI2020

Method for Assessment of Security-Relevant Settings in Anomaly-Based Intrusion Detection for Industrial Control Systems

Ensuring the integrity of Ethernet-based networks is a challenging and constantly evolving domain. This problem is exacerbated for those operational technology (OT) networks supporting industrial control systems (ICS) since much of that equipment was originally designed to be on a network that was isolated and generally considered free of malefactors. Increasing pressure to bridge these systems with traditional information technology (IT) networks has introduced a bevy of new threats. In response, both academia and industry have responded with security solutions tailored to ICS environments. Deploying these protection systems often involves several configuration choices. While some of these choices are clear (e.g., block/enable protocol X) others are far more subjective (e.g. alert threshold == 3.43). Further complicating the situation, while often similar to IT networks, OT networks have unique challenges and characteristics that make the task of protecting them simultaneously more difficult and straight forward.Extant solutions for quantifying the relative security of intrusion detection systems fail to effectively support the operators of said systems with understanding the impact of various configuration changes. Further, they assume that the attacks are static and not subject to manipulation or alteration in the face of defenses. In this paper, we present a threat-based method for quantifying the relative impact of various security settings for intrusion detection systems (IDSs) within ICS environments. This method provides operational staff with a clear understanding of the relative impact of their settings and assumes that the attacks levied against them are dynamic. The model is described in detail, we apply the model to a synthetic data set, and discuss the inferences that can be made and what types of decisions they could be used to support.

Gillen, Rob↗
DOE OSTI2020

Metabolic Feedback Inhibition Influences Metabolite Secretion by the Human Gut Symbiont Bacteroides thetaiotaomicron

ABSTRACT Microbial metabolism and trophic interactions between microbes give rise to complex multispecies communities in microbe-host systems. Bacteroides thetaiotaomicron ( B. theta ) is a human gut symbiont thought to play an important role in maintaining host health. Untargeted nuclear magnetic resonance metabolomics revealed B. theta secretes specific organic acids and amino acids in defined minimal medium. Physiological concentrations of acetate and formate found in the human intestinal tract were shown to cause dose-dependent changes in secretion of metabolites known to play roles in host nutrition and pathogenesis. While secretion fluxes varied, biomass yield was unchanged, suggesting feedback inhibition does not affect metabolic bioenergetics but instead redirects carbon and energy to CO 2 and H 2 . Flux balance analysis modeling showed increased flux through CO 2 -producing reactions under glucose-limiting growth conditions. The metabolic dynamics observed for B. theta , a keystone symbiont organism, underscores the need for metabolic modeling to complement genomic predictions of microbial metabolism to infer mechanisms of microbe-microbe and microbe-host interactions. IMPORTANCE Bacteroides is a highly abundant taxon in the human gut, and Bacteroides thetaiotaomicron ( B. theta ) is a ubiquitous human symbiont that colonizes the host early in development and persists throughout its life span. The phenotypic plasticity of keystone organisms such as B. theta is important to understand in order to predict phenotype(s) and metabolic interactions under changing nutrient conditions such as those that occur in complex gut communities. Our study shows B. theta prioritizes energy conservation and suppresses secretion of “overflow metabolites” such as organic acids and amino acids when concentrations of acetate are high. Secreted metabolites, especially amino acids, can be a source of nutrients or signals for the host or other microbes in the community. Our study suggests that when metabolically stressed by acetate, B. theta stops sharing with its ecological partners.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

NN-OpInf

SAND2026-18878O The NN-OpInf tool is a PyTorch-based approach to operator inference that uses composable, structure-preserving neural networks to represent nonlinear operators. Operator inference is a machine learning method for inferring low-dimensional systems from data and polynomial models for system dynamics. However, many systems do not conform to polynomial structures, which NN-OpInf addresses by parameterizing operators with neural networks. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗